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Information card for entry 7229640
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Coordinates | 7229640.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol |
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Formula | C10 H21 N O5 |
Calculated formula | C10 H21 N O5 |
SMILES | C([C@H]([C@H]([C@@H]([C@@H]1CN(C(C)(C)O1)C)O)O)O)O |
Title of publication | Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol |
Authors of publication | Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C. |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 1 |
Pages of publication | 88 |
a | 6.0781 ± 0.0003 Å |
b | 10.8821 ± 0.0006 Å |
c | 17.8535 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1180.87 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0229 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0595 |
Weighted residual factors for all reflections included in the refinement | 0.0596 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7229640.html
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